2-[3-[2-[4-[2-(3-pyridin-2-ylphenyl)ethynyl]phenyl]ethynyl]phenyl]pyridine

C32H20N2 — CID 101246219

IUPAC2-[3-[2-[4-[2-(3-pyridin-2-ylphenyl)ethynyl]phenyl]ethynyl]phenyl]pyridine
SMILESC(#Cc1cccc(-c2ccccn2)c1)c1ccc(C#Cc2cccc(-c3ccccn3)c2)cc1
InChIInChI=1S/C32H20N2/c1-3-21-33-31(11-1)29-9-5-7-27(23-29)19-17-25-13-15-26(16-14-25)18-20-28-8-6-10-30(24-28)32-12-2-4-22-34-32/h1-16,21-24H
InChIKeyBQMPDCXMWAOAGL-UHFFFAOYSA-N
MW432.53 g/mol
LogP6.61
Rot. Bonds2

About 2-[3-[2-[4-[2-(3-pyridin-2-ylphenyl)ethynyl]phenyl]ethynyl]phenyl]pyridine

2-[3-[2-[4-[2-(3-pyridin-2-ylphenyl)ethynyl]phenyl]ethynyl]phenyl]pyridine (PubChem CID 101246219) has the molecular formula C32H20N2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 2-[3-[2-[4-[2-(3-pyridin-2-ylphenyl)ethynyl]phenyl]ethynyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[3-[2-[4-[2-(3-pyridin-2-ylphenyl)ethynyl]phenyl]ethynyl]phenyl]pyridine
PubChem CID101246219
Molecular FormulaC32H20N2
Molecular Weight432.53 g/mol
Exact Mass432.16
IUPAC Name2-[3-[2-[4-[2-(3-pyridin-2-ylphenyl)ethynyl]phenyl]ethynyl]phenyl]pyridine
SMILESC(#Cc1cccc(-c2ccccn2)c1)c1ccc(C#Cc2cccc(-c3ccccn3)c2)cc1
InChIInChI=1S/C32H20N2/c1-3-21-33-31(11-1)29-9-5-7-27(23-29)19-17-25-13-15-26(16-14-25)18-20-28-8-6-10-30(24-28)32-12-2-4-22-34-32/h1-16,21-24H
InChIKeyBQMPDCXMWAOAGL-UHFFFAOYSA-N
XLogP6.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-[3-[2-[4-[2-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 102407209
2-methoxy-5-[2-[3-[2-(4-pyridin-2-ylphenyl)ethynyl]phenyl]ethynyl]pyridine
CID 171438558
3-phenyl-5-(3-pyridin-2-ylphenyl)benzonitrile
CID 90393137
4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]-2-[4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]-2-pyridinyl]pyridine
CID 102151582
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine
CID 102128660
1-phenyl-3-[2-(4-phenylphenyl)ethynyl]benzene
CID 59475328
CID 88529992
CID 88529992
4-(3-pyridin-2-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)-2-pyridinyl]pyridine
CID 130326866
5-[2-[3,5-bis[2-[6-[3-(2-phenylethynyl)phenyl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-[3-(2-phenylethynyl)phenyl]pyridine
CID 153429602
2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
4-[2-(4-methylphenyl)ethynyl]-2-phenyl-6-pyridin-2-ylpyridine
CID 24750510

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[4-[2-(3-pyridin-2-ylphenyl)ethynyl]phenyl]ethynyl]phenyl]pyridine?
The IUPAC name of 2-[3-[2-[4-[2-(3-pyridin-2-ylphenyl)ethynyl]phenyl]ethynyl]phenyl]pyridine (CID 101246219) is 2-[3-[2-[4-[2-(3-pyridin-2-ylphenyl)ethynyl]phenyl]ethynyl]phenyl]pyridine.
What is the SMILES notation for 2-[3-[2-[4-[2-(3-pyridin-2-ylphenyl)ethynyl]phenyl]ethynyl]phenyl]pyridine?
The canonical SMILES for 2-[3-[2-[4-[2-(3-pyridin-2-ylphenyl)ethynyl]phenyl]ethynyl]phenyl]pyridine is C(#Cc1cccc(-c2ccccn2)c1)c1ccc(C#Cc2cccc(-c3ccccn3)c2)cc1.
What is the InChIKey of 2-[3-[2-[4-[2-(3-pyridin-2-ylphenyl)ethynyl]phenyl]ethynyl]phenyl]pyridine?
The InChIKey is BQMPDCXMWAOAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N2/c1-3-21-33-31(11-1)29-9-5-7-27(23-29)19-17-25-13-15-26(16-14-25)18-20-28-8-6-10-30(24-28)32-12-2-4-22-34-32/h1-16,21-24H.
What are the key properties of 2-[3-[2-[4-[2-(3-pyridin-2-ylphenyl)ethynyl]phenyl]ethynyl]phenyl]pyridine?
2-[3-[2-[4-[2-(3-pyridin-2-ylphenyl)ethynyl]phenyl]ethynyl]phenyl]pyridine has a molecular weight of 432.53 g/mol, XLogP of 6.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[4-[2-(3-pyridin-2-ylphenyl)ethynyl]phenyl]ethynyl]phenyl]pyridine is sourced from PubChem (CID 101246219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).